Element = Lattice = Model = Element: Fe
Lattice: hcp
Model: Sim_LAMMPS_MEAM_AsadiZaeemNouranian_2015_Fe__SM_042630680993_000
Relaxation with c/a ratio fixed
Simplex search starting from: 5.0 * 0
Simplex search starting from: [2.0]
Creating new atoms: (1, 1, 1)
Optimization terminated successfully.
Current function value: -4.260897
Iterations: 36
Function evaluations: 80
Tmp Lattice Constants: [2.54800081]
Tmp Energy: -4.260897097932648
--------
Simplex search starting from: 5.0 * 0
Simplex search starting from: [2.25]
Optimization terminated successfully.
Current function value: -4.260897
Iterations: 34
Function evaluations: 75
Tmp Lattice Constants: [2.54800074]
Tmp Energy: -4.260897097932738
--------
Simplex search starting from: 5.0 * 0
Simplex search starting from: [2.5]
Optimization terminated successfully.
Current function value: -4.260897
Iterations: 33
Function evaluations: 75
Tmp Lattice Constants: [2.54800077]
Tmp Energy: -4.2608970979327525
--------
Simplex search starting from: 5.0 * 0
Simplex search starting from: [2.75]
Optimization terminated successfully.
Current function value: -4.260897
Iterations: 35
Function evaluations: 77
Tmp Lattice Constants: [2.54800066]
Tmp Energy: -4.260897097932688
--------
Simplex search starting from: 5.0 * 0
Simplex search starting from: [3.0]
Optimization terminated successfully.
Current function value: -4.260897
Iterations: 34
Function evaluations: 73
Tmp Lattice Constants: [2.54800076]
Tmp Energy: -4.260897097932751
--------
Relaxation with c/a ratio relaxed
Simplex search starting from c/a ratio: 1.633 * 0.8
Simplex search starting from: [2.5480007668957114, 3.328694262994516]
Optimization terminated successfully.
Current function value: -4.261321
Iterations: 71
Function evaluations: 149
Tmp Lattice Constants: [2.55690741 4.13206722]
Tmp Energy: -4.261321142873803
--------
Simplex search starting from c/a ratio: 1.633 * 0.85
Simplex search starting from: [2.5480007668957114, 3.536737654431673]
Optimization terminated successfully.
Current function value: -4.261321
Iterations: 72
Function evaluations: 152
Tmp Lattice Constants: [2.55690741 4.13206722]
Tmp Energy: -4.261321142873803
--------
Simplex search starting from c/a ratio: 1.633 * 0.9
Simplex search starting from: [2.5480007668957114, 3.7447810458688306]
Optimization terminated successfully.
Current function value: -4.261321
Iterations: 66
Function evaluations: 141
Tmp Lattice Constants: [2.55690741 4.13206721]
Tmp Energy: -4.261321142873805
--------
Simplex search starting from c/a ratio: 1.633 * 0.95
Simplex search starting from: [2.5480007668957114, 3.9528244373059875]
Optimization terminated successfully.
Current function value: -4.261321
Iterations: 66
Function evaluations: 146
Tmp Lattice Constants: [2.55690741 4.13206722]
Tmp Energy: -4.261321142873804
--------
Simplex search starting from c/a ratio: 1.633 * 1.0
Simplex search starting from: [2.5480007668957114, 4.160867828743145]
Optimization terminated successfully.
Current function value: -4.261321
Iterations: 65
Function evaluations: 137
Tmp Lattice Constants: [2.55690741 4.13206722]
Tmp Energy: -4.261321142873804
--------
Simplex search starting from c/a ratio: 1.633 * 1.05
Simplex search starting from: [2.5480007668957114, 4.368911220180302]
Optimization terminated successfully.
Current function value: -4.261321
Iterations: 70
Function evaluations: 152
Tmp Lattice Constants: [2.5569074 4.13206718]
Tmp Energy: -4.261321142873803
--------
Simplex search starting from c/a ratio: 1.633 * 1.1
Simplex search starting from: [2.5480007668957114, 4.5769546116174595]
Optimization terminated successfully.
Current function value: -4.261321
Iterations: 69
Function evaluations: 147
Tmp Lattice Constants: [2.55690742 4.13206722]
Tmp Energy: -4.261321142873803
--------
Simplex search starting from c/a ratio: 1.633 * 1.15
Simplex search starting from: [2.5480007668957114, 4.784998003054616]
Optimization terminated successfully.
Current function value: -4.261321
Iterations: 72
Function evaluations: 152
Tmp Lattice Constants: [2.55690741 4.13206722]
Tmp Energy: -4.261321142873803
--------
Simplex search starting from c/a ratio: 1.633 * 1.2
Simplex search starting from: [2.5480007668957114, 4.993041394491773]
Optimization terminated successfully.
Current function value: -4.261321
Iterations: 70
Function evaluations: 152
Tmp Lattice Constants: [2.5569074 4.13206726]
Tmp Energy: -4.261321142873803
--------
Lattice Constants: [2.55690741 4.13206721]
Energy: -4.261321142873805
Lattice Constants: 2.5569074056502794 4.132067207545537
[
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"instance-id" 1
"cauchy-stress" {
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{
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